SCHEMBL432256

SCHEMBL432256

Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.79
RXFP1 Q9HBX9 3/20 0.79
FOXM1 Q08050 3/20 0.79
TP53 P04637 1/20 0.79
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 5/20 0.68
HPGD P15428 5/20 0.68
POLB P06746 4/20 0.68
CRHBP P24387 2/20 0.68
CRHR2 Q13324 2/20 0.68
HTT P42858 2/20 0.68
BLM P54132 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C19 P33261 2/20 0.67
RECQL P46063 1/20 0.67
MCL1 Q07820 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18537673 0.89 MAPT (0.88) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL29558180 0.89 MAPT (1.00) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL13186381 0.89 MAPT (0.86) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL19853111 0.89 MAPT (1.00) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL19000365 0.89 MAPT (0.86) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL14969380 0.88 MAPT (0.85) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL15788394 0.85 MAPT (0.79) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL13568307 0.80 KMT2A (0.76) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL14954964 0.80 LIMK1 (0.84) MAPTRXFP1FOXM1TP53MEN1
SCHEMBL4193459 0.80 LIMK1 (1.00) MAPTRXFP1FOXM1TP53MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 138/4885RXFP1 4255/4885FOXM1 3396/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885RXFP1 4316/4885FOXM1 3435/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885RXFP1 4316/4885FOXM1 3435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.